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ABC294735

CAT: 0931-T68352-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68352-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
917236-13-6
Target
Others
Related Pathways
Others
Bioactivity
ABC294735 is a dual SK1/SK2 inhibitor with potential anticancer activity.
Smiles
C(NCCC1=CC(O)=C(O)C=C1)(=O)C23CC4(CC(C2)CC(C4)C3)C5=CC=C(Cl)C=C5
Molecular Formula
C25H28ClNO3
Molecular Weight
425.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(4-Chloro-phenyl)-adamantane-1-carboxylic acid 3,4-dihydroxy-benzylamide
CAS Number917236-13-6
PubChem CID15983462
IUPAC Name3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide
Molecular FormulaC24H26ClNO3
Molecular Weight411.9
XLogP5
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity618
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC(=C(C=C4)O)O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H26ClNO3/c25-19-4-2-18(3-5-19)23-9-16-7-17(10-23)12-24(11-16,14-23)22(29)26-13-15-1-6-20(27)21(28)8-15/h1-6,8,16-17,27-28H,7,9-14H2,(H,26,29)
InChIKey
KNZHUAFGWMRPPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acid 3,4-dihydroxy-benzylamide
CAS: 917236-13-6
CID: 15983462
Formula: C24H26ClNO3
MW: 411.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight411.9
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass411.1601214
Monoisotopic Mass411.1601214
Topological Polar Surface Area69.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19212279-01ABC294735

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